NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4200 8.3049 120.3497 55.1492 33.3873 174.9605 2 I 3.7293 8.3012 127.3193 60.2189 37.9775 174.4493 3 N 4.8312 9.2218 123.6979 51.3365 41.3078 174.2519 4 E 3.9802 8.5793 128.3244 59.2180 29.6706 179.1625 5 I 3.6970 7.7395 119.3885 64.3389 37.2439 177.8079 6 E 3.9575 8.7313 120.3019 59.3345 29.4714 178.8811 7 I 3.7656 7.9855 119.8224 64.4811 37.2121 178.6265 8 K 4.0795 8.2512 119.2744 59.5897 31.8337 179.7341 9 R 3.9801 8.5053 118.8386 59.0403 29.9223 178.9811 10 K 3.9607 8.5935 119.9765 59.3672 32.1017 178.5020 11 F 4.2620 8.5372 121.0825 61.3174 39.2993 177.2498 12 G 3.8401 8.3860 106.5794 47.5010 0.0000 175.8072 13 R 3.9249 8.3993 121.2981 59.1615 29.9413 179.4071 14 T 3.6655 7.9942 115.6645 66.2133 68.2704 176.5408 15 L 3.9220 7.9274 122.5632 58.0339 42.1254 178.8646 16 K 3.8422 8.1023 119.5963 59.3128 32.0111 178.5590 17 K 3.8222 7.9510 119.7324 59.6550 32.1474 178.9244 18 I 3.6323 7.8242 120.5345 64.2617 36.9845 178.6826 19 R 3.9790 8.2573 117.2554 59.4797 29.1916 179.1263 20 T 3.8396 7.8955 116.5404 66.6408 68.2572 176.7087 21 Q 4.0642 8.1220 118.7271 58.2425 28.7693 178.0508 22 K 4.3425 7.8583 117.4873 55.8405 32.5231 176.9922 23 G 3.8086 8.0002 107.3632 46.3345 0.0000 173.4330 24 V 4.3430 7.7013 118.9579 60.0333 33.7883 176.1652 25 S 4.4306 8.3969 121.8849 57.8180 65.2104 174.9804 26 Q 3.9425 8.5167 122.6357 59.5189 28.7977 178.3079 27 E 3.9990 8.0968 119.0590 59.3456 29.5549 178.7740 28 E 3.9435 8.2967 119.4203 59.0256 29.6144 178.4543 29 L 3.9234 8.2238 120.4343 58.1235 42.0719 178.6919 30 A 4.0398 8.0753 120.5014 55.4147 18.3658 179.2778 31 D 4.3019 8.1429 117.1277 57.7097 40.7304 179.1941 32 L 4.0382 8.1652 118.1776 57.3741 41.7124 178.6030 33 A 4.3609 8.2898 118.4004 51.2470 19.2752 176.9806 34 G 3.8621 7.8579 104.7370 46.7193 0.0000 173.8553 35 L 4.7808 7.9172 116.8842 51.8113 45.9814 177.5022 36 H 4.4071 8.4028 118.0278 55.8304 30.5543 177.0410 37 R 4.0282 8.7516 124.1233 59.7994 29.9973 179.5586 38 T 3.9721 7.9644 109.0513 64.7447 68.8363 175.9069 39 Y 4.2209 8.0712 121.9519 60.6373 38.8378 177.9308 40 I 3.6168 7.8277 120.4348 64.3418 36.9035 178.1241 41 S 4.0689 8.0521 113.9633 61.6557 62.0992 176.2618 42 E 3.9252 8.2535 121.0401 59.3258 29.1640 179.4017 43 V 3.4600 7.8298 118.6795 66.1366 31.3715 177.9942 44 E 4.0537 8.5247 118.2341 58.7736 29.0283 178.4457 45 R 4.4919 7.4298 115.6490 55.4571 30.4077 176.9677 46 G 3.9119 7.9306 106.9345 46.4246 0.0000 174.3034 47 D 4.6422 8.3608 117.9715 54.0941 41.2709 176.1997 48 R 4.6584 7.4740 117.0940 54.3339 33.9782 175.6268 49 N 4.5960 8.2992 118.8436 51.4502 37.3460 174.4379 50 I 3.5900 7.3924 118.4701 62.0302 38.8517 175.0663 51 S 4.7499 8.2281 121.6115 55.3628 68.0938 174.4959 52 L 3.9487 8.4504 123.0424 58.9024 41.5109 178.9111 53 I 3.6799 7.6875 118.6918 64.6580 37.0585 178.1496 54 N 4.4120 8.0923 116.7062 56.0391 38.3897 177.2913 55 I 3.6594 8.0548 121.8204 64.7009 37.1375 177.7933 56 H 4.0637 8.4930 119.0299 59.2462 29.7393 177.4231 57 K 4.0115 8.2490 120.2402 59.5298 31.9502 179.4407 58 I 3.7436 8.1034 120.3656 64.6964 37.0626 178.3953 59 C 4.1421 8.2386 117.4295 62.5767 27.9102 175.9588 60 A 3.9507 8.2856 122.5344 55.1894 17.7515 179.5746 61 A 4.0143 7.9345 118.1215 54.8506 18.5352 178.9122 62 L 4.2225 7.6408 114.5708 53.8139 42.9319 176.0080 63 D 4.3602 7.9274 117.8754 55.1481 39.9356 173.2288 64 I 4.6637 7.8441 116.8502 57.7100 41.7730 173.3984 65 P 4.4580 0.0000 0.0000 62.2146 33.1901 177.5305 66 A 4.0651 8.6664 122.9165 55.3529 18.3172 180.2226 67 S 4.2853 8.2830 112.3231 62.2855 62.8803 176.9557 68 T 3.9137 7.9361 118.8032 65.9979 68.3130 176.1579 69 F 3.7994 8.2089 122.6603 61.5746 39.3244 177.3297 70 F 4.4779 8.7079 117.5557 60.5181 38.6686 177.6515 71 R 4.2552 8.3184 119.8958 58.9157 30.0016 178.7741 72 K 3.9123 8.1643 118.3184 59.5686 31.7581 179.0410 73 M 3.9606 7.6856 117.6312 58.6639 32.0265 177.9280 74 E 4.1796 8.7644 119.0492 58.9329 29.3427 179.2586 75 E 3.9733 7.8384 118.3720 59.3778 29.7045 177.2818 76 E 4.2531 7.8002 121.0831 56.6227 29.6802 176.6850 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.42 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 I 8.30 3.73 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.28 0.92 0.00 0.00 3 N 9.22 4.83 0.00 2.71 2.80 0.00 0.00 7.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.58 3.98 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 5 I 7.74 3.70 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 0.92 0.00 0.00 6 E 8.73 3.96 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 7 I 7.99 3.77 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.91 0.99 0.00 0.00 8 K 8.25 4.08 0.00 1.82 1.88 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.65 7.81 9 R 8.51 3.98 0.00 1.92 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 10 K 8.59 3.96 0.00 1.94 2.03 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 11 F 8.54 4.26 0.00 3.33 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.39 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.40 3.92 0.00 1.94 1.96 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 14 T 7.99 3.67 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 15 L 7.93 3.92 0.00 1.66 1.80 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.10 3.84 0.00 1.84 1.91 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 K 7.95 3.82 0.00 1.78 1.81 0.00 1.72 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 18 I 7.82 3.63 1.73 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.24 0.88 0.00 0.00 19 R 8.26 3.98 0.00 2.02 2.20 0.00 2.98 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 20 T 7.90 3.84 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 21 Q 8.12 4.06 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 22 K 7.86 4.34 0.00 1.87 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.59 7.81 23 G 8.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.70 4.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 25 S 8.40 4.43 0.00 4.20 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.52 3.94 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 27 E 8.10 4.00 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 28 E 8.30 3.94 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 29 L 8.22 3.92 0.00 1.80 1.85 0.95 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.08 4.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.14 4.30 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.17 4.04 0.00 1.73 1.74 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.29 4.36 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.92 4.78 0.00 1.67 1.62 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.40 4.41 0.00 3.33 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.75 4.03 0.00 1.90 2.02 0.00 3.16 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 38 T 7.96 3.97 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39 Y 8.07 4.22 0.00 3.14 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.83 3.62 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.87 0.94 0.00 0.00 41 S 8.05 4.07 0.00 4.06 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.25 3.93 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 43 V 7.83 3.46 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.23 0.00 0.00 44 E 8.52 4.05 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 45 R 7.43 4.49 0.00 1.90 1.95 0.00 3.23 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 46 G 7.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.36 4.64 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.47 4.66 0.00 1.58 1.87 0.00 3.38 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.28 0.00 49 N 8.30 4.60 0.00 2.66 2.76 0.00 0.00 6.88 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.39 3.59 1.64 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.29 0.50 0.00 0.00 51 S 8.23 4.75 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.45 3.95 0.00 1.76 1.69 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.69 3.68 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.49 0.88 0.00 0.00 54 N 8.09 4.41 0.00 2.78 2.98 0.00 0.00 7.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.05 3.66 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.55 0.87 0.00 0.00 56 H 8.49 4.06 0.00 3.27 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.25 4.01 0.00 2.01 2.00 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.64 7.81 58 I 8.10 3.74 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.15 0.90 0.00 0.00 59 C 8.24 4.14 0.00 2.88 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.29 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.93 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.64 4.22 0.00 1.70 1.74 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.93 4.36 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.84 4.66 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 1.04 0.00 0.00 65 P 0.00 4.46 0.00 2.25 1.98 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 66 A 8.67 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.28 4.29 0.00 4.14 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.94 3.91 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 69 F 8.21 3.80 0.00 3.05 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.71 4.48 0.00 3.23 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.32 4.26 0.00 2.08 2.11 0.00 3.16 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 72 K 8.16 3.91 0.00 1.71 1.62 0.00 1.55 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.50 7.81 73 M 7.69 3.96 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.72 0.00 74 E 8.76 4.18 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 75 E 7.84 3.97 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 76 E 7.80 4.25 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00